SCHEMBL719685

SCHEMBL719685

COCc1nn(-c2cccc(OC)c2)cc1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
MAPT P10636 3/20 0.43
NOTUM Q6P988 2/20 0.43
LMNA P02545 1/20 0.42
BRAF P15056 1/20 0.41
MAPK14 Q16539 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL718428 0.88 HSD17B10 (0.60) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL27852363 0.85 RAB9A (0.56) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL719883 0.82 HSD17B10 (0.63) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL719924 0.81 HSD17B10 (0.54) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL718353 0.80 KMT2A (0.52) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL720888 0.79 HSD17B10 (0.59) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL720576 0.78 MEN1 (0.49) HSD17B10TSHRMAPK1RAB9ASMN1; SMN2
SCHEMBL718451 0.77 NOTUM (0.59) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL719334 0.73 BCHE (0.40) HSD17B10TSHRMAPK1RAB9AKDM4E
SCHEMBL1806117 0.72 NOTUM (0.46) HSD17B10TSHRMAPK1RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HSD17B10 691/4885TSHR 1555/4885MAPK1 320/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HSD17B10 691/4885TSHR 1555/4885MAPK1 320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.